| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | R293HT233N |
| EPA CompTox | DTXSID8066424 |
Structure
| InChI Key | LYLVOCPDQAOQKL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H24O2 |
| Molecular Weight | 188.18 |
| AlogP | 3.36 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18824-63-0 |
| NORMAN SUSDAT | |
| FDA SRS | R293HT233N |
| PubChem | 87813 |
| ChemSpider | 79223.0 |
CONTENTS
